SCHEMBL6985018

SCHEMBL6985018

CN1CCC(N2CCN(C(=O)CNc3cccc(C(=O)c4ccc5cc[nH]c5c4)c3C(F)(F)F)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.49
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DYRK1A Q13627 1/20 0.37
ACACB O00763 3/20 0.37
ACACA Q13085 3/20 0.37
GHSR Q92847 3/20 0.37
STAT3 P40763 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTK2 Q05397 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
F2 P00734 1/20 0.35
HSD11B1 P28845 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6986945 0.88 F10 (0.53) F10KDM4EALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL6985167 0.88 F10 (0.53) F10KDM4EALDH1A1MAPTHPGD
SCHEMBL6986369 0.84 ALDH1A1 (0.41) KDM4EALDH1A1MAPTSTAT3L3MBTL3
SCHEMBL6986950 0.83 F10 (0.53) F10KDM4EALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL6986450 0.83 ALDH1A1 (0.40) KDM4EALDH1A1MAPTSTAT3L3MBTL3
Hydrochloric Acid SCHEMBL6987729 0.81 F10 (0.49) F10KDM4EALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL6600677 0.74 F10 (0.53) F10KDM4EALDH1A1MAPTHPGD
SCHEMBL4832287 0.73 SCD (0.50) KDM4EALDH1A1STAT3L3MBTL3L3MBTL1
SCHEMBL6986879 0.72 KMT2A (0.42) F10KDM4EALDH1A1MAPTL3MBTL3
Hydrochloric Acid SCHEMBL6494015 0.72 KMT2A (0.41) F10KDM4EALDH1A1MAPTL3MBTL3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289972-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096323-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed